4-[2-(3-nitrophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]butanoic acid

Systemtic Name: 4-[2-(3-nitrophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]butanoic acid Openeye Name: 4-[2-(3-nitrophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl]butanoic acid CAS Name: 4-[2-(3-nitrophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]butanoic acid IUPAC Name: 4-[2-(3-nitrophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]butanoic acid Traditional Name: 4-[2-(3-nitrophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl]butyric acid Formula: C18H19N3O4S MolecularWeight: 373.42616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=S)N=C(N2CCCC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=S)N=C(N2CCCC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4S/c22-16(23)9-4-10-20-15-8-2-1-7-14(15)18(26)19-17(20)12-5-3-6-13(11-12)21(24)25/h3,5-6,11H,1-2,4,7-10H2,(H,22,23)